3-(1,3-benzoxazol-2-ylsulfanyl)-2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 3-(1,3-benzoxazol-2-ylthio)-2-[(1,3-benzoxazol-2-ylthio)methyl]-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-2-[(1,3-benzoxazol-2-ylthio)methyl]-4-hydroxy-5-keto-2-furoic acid Formula: C20H12N2O7S2 MolecularWeight: 456.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=CC=CC=C5O4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3(C(=C(C(=O)O3)O)SC4=NC5=CC=CC=C5O4)C(=O)O

InChI

InChI=1S/C20H12N2O7S2/c23-14-15(31-19-22-11-6-2-4-8-13(11)28-19)20(17(25)26,29-16(14)24)9-30-18-21-10-5-1-3-7-12(10)27-18/h1-8,23H,9H2,(H,25,26)